Intramolecular electron-transfer dynamics in the inverted regime: Quantum mechanical multi-mode model including dissipation

A model of ultrafast electron transfer in condensed media is proposed; it includes electronic inter-state coupling, coupling of the electronic dynamics with several intramolecular modes, and damping of the vibrational motion due to interaction with a thermal environment. Exact numerical solutions of the equation of motion for the reduced density matrix are obtained for this dissipative multi-level system, employing the Monte Carlo wavefunction propagation method. The comparison of the electronic population dynamics of the multi-mode model with an effective single-mode description reveals the importance of multi-mode effects for ultrafast ET dynamics.